4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide

C16H14N4OS2 — CID 7760139

IUPAC4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide
SMILESNc1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)s1
InChIInChI=1S/C16H14N4OS2/c17-15-19-20-16(23-15)22-10-11-6-8-12(9-7-11)14(21)18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,17,19)(H,18,21)
InChIKeyANSDOBFMAZRYRJ-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.66
Rot. Bonds5

About 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide

4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide (PubChem CID 7760139) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide
PubChem CID7760139
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC Name4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide
SMILESNc1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)s1
InChIInChI=1S/C16H14N4OS2/c17-15-19-20-16(23-15)22-10-11-6-8-12(9-7-11)14(21)18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,17,19)(H,18,21)
InChIKeyANSDOBFMAZRYRJ-UHFFFAOYSA-N
XLogP3.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 72713921
4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-phenylbenzamide
CID 7965312
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate
CID 7065834
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2,4-dimethylphenyl)benzamide
CID 980257
N-phenyl-4-[[5-(3-phenylprop-2-enoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide
CID 3997931
4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 7570194
N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
CID 851612
N-(4-methoxyphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 1269728
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide
CID 141362947
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 26175383
4-bromo-N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 44957881
4-[[5-[(4-carboxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid
CID 4694138

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide?
The IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide (CID 7760139) is 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide is Nc1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)s1.
What is the InChIKey of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide?
The InChIKey is ANSDOBFMAZRYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c17-15-19-20-16(23-15)22-10-11-6-8-12(9-7-11)14(21)18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,17,19)(H,18,21).
What are the key properties of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide?
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide has a molecular weight of 342.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide is sourced from PubChem (CID 7760139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).